SCHEMBL6551970

SCHEMBL6551970

CC(C)(C)OC(=O)CCNCCc1c2ccccc2c(CCNCCC(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.37
LTA4H P09960 1/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HTT P42858 1/20 0.35
PTPRC P08575 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3243656 0.87 S1PR5 (0.43) SLC2A1MEN1NPC1RAB9AKMT2A
SCHEMBL7141839 0.84 CA12 (0.50) LTA4HMEN1NPC1RAB9AKMT2A
SCHEMBL14176740 0.82 S1PR5 (0.43) SLC2A1HDAC1S1PR5
SCHEMBL3485766 0.79 EPHX2 (0.40) MEN1KMT2AGAAHDAC1
SCHEMBL7137606 0.78 SIGMAR1 (0.54) LTA4HS1PR5
SCHEMBL830041 0.76 S1PR5 (0.36) SLC2A1HDAC1S1PR5
SCHEMBL9102803 0.76 ATM (0.52) LTA4HMEN1KMT2AGAAHDAC1
SCHEMBL20094984 0.75 ALDH1A1 (0.49) LTA4HMEN1KMT2AHTT
SCHEMBL9098757 0.74 SMN1; SMN2 (0.52) MEN1KMT2AGAA
SCHEMBL3041791 0.74 TAAR1 (0.49) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388014-A2 DETECTION OF GLUCOSE IN SOLUTIONS Sensors for Medicine and Science, Inc. (US) 2004-02-11 EP disclosed
WO-2002057788-A2 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2002-07-25 WO disclosed